SCHEMBL15313621

SCHEMBL15313621

C[n+]1cccc([C@@H]2CCC[N+]2(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.44
CHRM4 P08173 9/20 0.44
CHRM5 P08912 9/20 0.44
CHRM1 P11229 9/20 0.44
CHRM3 P20309 9/20 0.44
CYP2D6 P10635 1/20 0.39
HDAC8 Q9BY41 4/20 0.39
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29422910 0.84 CYP2D6 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20086778 0.74 CHRNB2 (0.57)
SCHEMBL20086777 0.74 CHRNB2 (0.57)
SCHEMBL20086796 0.74 CHRNB2 (0.57)
SCHEMBL20086775 0.74 CHRNB2 (0.57)
SCHEMBL9370820 0.72 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16887928 0.69 ALOX15 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14245531 0.69 ALOX15 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29883811 0.69 ALOX15 (0.74) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11387720 0.65 CHRNB2 (0.62)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557804-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-15 US disclosed